N-[4-[2-[(2-amino-2-methylpropyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide;dihydrochloride

C13H24Cl2N4O2S — CID 119627196

IUPACN-[4-[2-[(2-amino-2-methylpropyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide;dihydrochloride
SMILESCC(C)C(=O)Nc1nc(CC(=O)NCC(C)(C)N)cs1.Cl.Cl
InChIInChI=1S/C13H22N4O2S.2ClH/c1-8(2)11(19)17-12-16-9(6-20-12)5-10(18)15-7-13(3,4)14;;/h6,8H,5,7,14H2,1-4H3,(H,15,18)(H,16,17,19);2*1H
InChIKeyGEEKEUMCIPVCCY-UHFFFAOYSA-N
MW371.33 g/mol
LogP1.98
Rot. Bonds6

About N-[4-[2-[(2-amino-2-methylpropyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide;dihydrochloride

N-[4-[2-[(2-amino-2-methylpropyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide;dihydrochloride (PubChem CID 119627196) has the molecular formula C13H24Cl2N4O2S and a molecular weight of 371.33 g/mol. Its IUPAC name is N-[4-[2-[(2-amino-2-methylpropyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide;dihydrochloride.

Molecular Properties

Compound NameN-[4-[2-[(2-amino-2-methylpropyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide;dihydrochloride
PubChem CID119627196
Molecular FormulaC13H24Cl2N4O2S
Molecular Weight371.33 g/mol
Exact Mass370.10
IUPAC NameN-[4-[2-[(2-amino-2-methylpropyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide;dihydrochloride
SMILESCC(C)C(=O)Nc1nc(CC(=O)NCC(C)(C)N)cs1.Cl.Cl
InChIInChI=1S/C13H22N4O2S.2ClH/c1-8(2)11(19)17-12-16-9(6-20-12)5-10(18)15-7-13(3,4)14;;/h6,8H,5,7,14H2,1-4H3,(H,15,18)(H,16,17,19);2*1H
InChIKeyGEEKEUMCIPVCCY-UHFFFAOYSA-N
XLogP1.98
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.33
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[4-[2-[(2-amino-2-methylpropyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[2-[(1-amino-2,3-dimethylbutan-2-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide;dihydrochloride
CID 119606563
N-[4-[2-[(2-amino-2-ethylbutyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
CID 119641765
N-[4-[2-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide
CID 47067702
N-[4-[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide
CID 55827901
2-methyl-N-[4-[2-oxo-2-(piperidin-3-ylmethylamino)ethyl]-1,3-thiazol-2-yl]propanamide;dihydrochloride
CID 119461261
ethyl 2-[2-(2-aminopropanoylamino)-1,3-thiazol-4-yl]acetate;hydrochloride
CID 119262725
2-methylpropyl N-[4-[2-(2-methylpropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate
CID 16883996
2-methyl-N-[4-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)propylamino]ethyl]-1,3-thiazol-2-yl]propanamide
CID 87002042
2-methyl-2-[4-[[2-[2-(2-methylpropanoylamino)-1,3-thiazol-4-yl]acetyl]amino]pyrazol-1-yl]propanoic acid
CID 120697209
2-methyl-N-[4-[2-[[(2S)-2-(4-methylpiperidin-1-yl)propyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]propanamide
CID 52516283
2-methyl-N-[4-[2-[2-[2-(4-methylanilino)acetyl]hydrazinyl]-2-oxoethyl]-1,3-thiazol-2-yl]propanamide
CID 56503754
2-methylprop-2-enyl 2-[2-(2-methylpropanoylamino)-1,3-thiazol-4-yl]acetate
CID 78903050

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[(2-amino-2-methylpropyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide;dihydrochloride?
The IUPAC name of N-[4-[2-[(2-amino-2-methylpropyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide;dihydrochloride (CID 119627196) is N-[4-[2-[(2-amino-2-methylpropyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide;dihydrochloride.
What is the SMILES notation for N-[4-[2-[(2-amino-2-methylpropyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide;dihydrochloride?
The canonical SMILES for N-[4-[2-[(2-amino-2-methylpropyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide;dihydrochloride is CC(C)C(=O)Nc1nc(CC(=O)NCC(C)(C)N)cs1.Cl.Cl.
What is the InChIKey of N-[4-[2-[(2-amino-2-methylpropyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide;dihydrochloride?
The InChIKey is GEEKEUMCIPVCCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2S.2ClH/c1-8(2)11(19)17-12-16-9(6-20-12)5-10(18)15-7-13(3,4)14;;/h6,8H,5,7,14H2,1-4H3,(H,15,18)(H,16,17,19);2*1H.
What are the key properties of N-[4-[2-[(2-amino-2-methylpropyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide;dihydrochloride?
N-[4-[2-[(2-amino-2-methylpropyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide;dihydrochloride has a molecular weight of 371.33 g/mol, XLogP of 1.98, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[(2-amino-2-methylpropyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide;dihydrochloride is sourced from PubChem (CID 119627196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).